Compile Data Set for Download or QSAR

Found 32 hits of ki for UniProtKB: P49760   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411573 (2-amino-6-fluoro-N-(4-(4-(oxetan-3-yl)piperazin-1-...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H21FN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h1-2,7-9,13H,3-6,10-11H2,(H2,21,25)(H,24,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411584 (US10392391, Compound I-N-13 | US10787452, Compound...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H20F2N8O2/c20-11-5-24-18-15(17(22)26-29(18)8-11)19(30)25-14-7-23-6-13(21)16(14)28-3-1-27(2-4-28)12-9-31-10-12/h5-8,12H,1-4,9-10H2,(H2,22,26)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412060 (2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412050 (US10392391, Compound I-G-21 | US10787452, Compound...) Show SMILES COC1CN(C1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C22H24F2N8O3/c1-35-14-10-31(11-14)22(34)12-2-4-30(5-3-12)18-15(24)7-26-8-16(18)28-21(33)17-19(25)29-32-9-13(23)6-27-20(17)32/h6-9,12,14H,2-5,10-11H2,1H3,(H2,25,29)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412042 (2-amino-6-fluoro-N-(5-fluoro-4-(4-(piperazine-1-ca...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCNCC1 Show InChI InChI=1S/C22H25F2N9O2/c23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h9-13,26H,1-8H2,(H2,25,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412037 (US10392391, Compound I-G-7 | US10787452, Compound ...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCN2CCC1CC2 |(-5.5,5.35,;-5.18,3.84,;-6.21,2.7,;-5.44,1.36,;-5.91,-.1,;-4.88,-1.24,;-5.36,-2.71,;-3.38,-.92,;-2.9,.54,;-3.93,1.69,;-3.77,3.22,;-2.44,3.99,;-2.44,5.53,;-1.1,3.22,;.23,3.99,;.23,5.53,;1.57,6.3,;2.9,5.53,;2.9,3.99,;4.23,3.22,;1.57,3.22,;1.57,1.68,;.23,.91,;.23,-.63,;1.57,-1.4,;2.9,-.63,;2.9,.91,;1.57,-2.94,;.23,-3.71,;2.9,-3.71,;4.17,-2.85,;5.64,-3.3,;6.21,-4.73,;5.44,-6.07,;3.91,-6.3,;2.78,-5.25,;3.62,-4.35,;5.18,-4.08,)| Show InChI InChI=1S/C25H29F2N9O2/c26-16-11-30-23-20(22(28)32-36(23)14-16)24(37)31-19-13-29-12-18(27)21(19)34-7-1-15(2-8-34)25(38)35-10-9-33-5-3-17(35)4-6-33/h11-15,17H,1-10H2,(H2,28,32)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412034 (2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-methylpiperaz...) Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C23H27F2N9O2/c1-31-6-8-33(9-7-31)23(36)14-2-4-32(5-3-14)19-16(25)11-27-12-17(19)29-22(35)18-20(26)30-34-13-15(24)10-28-21(18)34/h10-14H,2-9H2,1H3,(H2,26,30)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412025 (US10392391, Compound I-C-79 | US10787452, Compound...) Show SMILES Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 |(5.25,-.62,;3.77,-1.02,;3.29,-2.49,;1.75,-2.49,;1.27,-1.02,;2.52,-.12,;2.52,1.42,;3.85,2.19,;5.19,1.42,;3.85,3.73,;2.52,4.5,;1.19,3.73,;1.19,2.19,;-.15,1.42,;-1.48,2.19,;-1.48,3.73,;-2.82,1.42,;-4.22,2.05,;-4.54,3.56,;-5.25,.9,;-4.48,-.43,;-4.96,-1.89,;-3.93,-3.04,;-4.4,-4.5,;-2.42,-2.72,;-1.95,-1.25,;-2.98,-.11,)| Show InChI InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411977 (US10392391, Compound I-C-31 | US10787452, Compound...) Show SMILES Cc1nnccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C17H13FN8O/c1-9-11(3-5-22-24-9)12-2-4-20-7-13(12)23-17(27)14-15(19)25-26-8-10(18)6-21-16(14)26/h2-8H,1H3,(H2,19,25)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411971 (US10392391, Compound I-C-25 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H23FN8O2/c1-31-8-10-32(11-9-31)24(35)16-4-2-15(3-5-16)18-6-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2-7,12-14H,8-11H2,1H3,(H2,26,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411749 (US10392391, Compound I-N-182 | US10392391, Compoun...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN2[C@H](CCC2=O)C1 |r| Show InChI InChI=1S/C19H18F2N8O2/c20-10-5-24-18-15(17(22)26-29(18)8-10)19(31)25-13-7-23-6-12(21)16(13)27-3-4-28-11(9-27)1-2-14(28)30/h5-8,11H,1-4,9H2,(H2,22,26)(H,25,31)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411733 (US10392391, Compound I-N-166 | US10787452, Compoun...) Show SMILES CN1CCN(CC1)S(=O)(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C22H27F2N9O3S/c1-30-6-8-32(9-7-30)37(35,36)15-2-4-31(5-3-15)19-16(24)11-26-12-17(19)28-22(34)18-20(25)29-33-13-14(23)10-27-21(18)33/h10-13,15H,2-9H2,1H3,(H2,25,29)(H,28,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411686 (US10392391, Compound I-N-118 | US10787452, Compoun...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCNCC1 Show InChI InChI=1S/C16H16F2N8O/c17-9-5-22-15-12(14(19)24-26(15)8-9)16(27)23-11-7-21-6-10(18)13(11)25-3-1-20-2-4-25/h5-8,20H,1-4H2,(H2,19,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411629 (US10392391, Compound I-N-58 | US10787452, Compound...) Show SMILES Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H21ClN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h1-2,7-9,13H,3-6,10-11H2,(H2,21,25)(H,24,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411573 (2-amino-6-fluoro-N-(4-(4-(oxetan-3-yl)piperazin-1-...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H21FN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h1-2,7-9,13H,3-6,10-11H2,(H2,21,25)(H,24,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412060 (2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1 Show InChI InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412042 (2-amino-6-fluoro-N-(5-fluoro-4-(4-(piperazine-1-ca...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCNCC1 Show InChI InChI=1S/C22H25F2N9O2/c23-14-9-28-20-17(19(25)30-33(20)12-14)21(34)29-16-11-27-10-15(24)18(16)31-5-1-13(2-6-31)22(35)32-7-3-26-4-8-32/h9-13,26H,1-8H2,(H2,25,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM560106 (US11370798, Cmpd. # I-G-7 | US20230271963, Compoun...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(CC1)C(=O)N1CCC2CCC1CN2 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412034 (2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-methylpiperaz...) Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C23H27F2N9O2/c1-31-6-8-33(9-7-31)23(36)14-2-4-32(5-3-14)19-16(25)11-27-12-17(19)29-22(35)18-20(26)30-34-13-15(24)10-28-21(18)34/h10-14H,2-9H2,1H3,(H2,26,30)(H,29,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412025 (US10392391, Compound I-C-79 | US10787452, Compound...) Show SMILES Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 |(5.25,-.62,;3.77,-1.02,;3.29,-2.49,;1.75,-2.49,;1.27,-1.02,;2.52,-.12,;2.52,1.42,;3.85,2.19,;5.19,1.42,;3.85,3.73,;2.52,4.5,;1.19,3.73,;1.19,2.19,;-.15,1.42,;-1.48,2.19,;-1.48,3.73,;-2.82,1.42,;-4.22,2.05,;-4.54,3.56,;-5.25,.9,;-4.48,-.43,;-4.96,-1.89,;-3.93,-3.04,;-4.4,-4.5,;-2.42,-2.72,;-1.95,-1.25,;-2.98,-.11,)| Show InChI InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411989 (US10392391, Compound I-C-43 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411977 (US10392391, Compound I-C-31 | US10787452, Compound...) Show SMILES Cc1nnccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C17H13FN8O/c1-9-11(3-5-22-24-9)12-2-4-20-7-13(12)23-17(27)14-15(19)25-26-8-10(18)6-21-16(14)26/h2-8H,1H3,(H2,19,25)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411971 (US10392391, Compound I-C-25 | US10787452, Compound...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C24H23FN8O2/c1-31-8-10-32(11-9-31)24(35)16-4-2-15(3-5-16)18-6-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2-7,12-14H,8-11H2,1H3,(H2,26,30)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411840 (US10392391, Compound I-N-275 | US10787452, Compoun...) Show SMILES CC(=O)N1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C18H18F2N8O2/c1-10(29)26-2-4-27(5-3-26)15-12(20)7-22-8-13(15)24-18(30)14-16(21)25-28-9-11(19)6-23-17(14)28/h6-9H,2-5H2,1H3,(H2,21,25)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411749 (US10392391, Compound I-N-182 | US10392391, Compoun...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN2[C@H](CCC2=O)C1 |r| Show InChI InChI=1S/C19H18F2N8O2/c20-10-5-24-18-15(17(22)26-29(18)8-10)19(31)25-13-7-23-6-12(21)16(13)27-3-4-28-11(9-27)1-2-14(28)30/h5-8,11H,1-4,9H2,(H2,22,26)(H,25,31)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411733 (US10392391, Compound I-N-166 | US10787452, Compoun...) Show SMILES CN1CCN(CC1)S(=O)(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C22H27F2N9O3S/c1-30-6-8-32(9-7-30)37(35,36)15-2-4-31(5-3-15)19-16(24)11-26-12-17(19)28-22(34)18-20(25)29-33-13-14(23)10-27-21(18)33/h10-13,15H,2-9H2,1H3,(H2,25,29)(H,28,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411686 (US10392391, Compound I-N-118 | US10787452, Compoun...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCNCC1 Show InChI InChI=1S/C16H16F2N8O/c17-9-5-22-15-12(14(19)24-26(15)8-9)16(27)23-11-7-21-6-10(18)13(11)25-3-1-20-2-4-25/h5-8,20H,1-4H2,(H2,19,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411629 (US10392391, Compound I-N-58 | US10787452, Compound...) Show SMILES Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H21ClN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h1-2,7-9,13H,3-6,10-11H2,(H2,21,25)(H,24,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411584 (US10392391, Compound I-N-13 | US10787452, Compound...) Show SMILES Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C19H20F2N8O2/c20-11-5-24-18-15(17(22)26-29(18)8-11)19(30)25-14-7-23-6-13(21)16(14)28-3-1-27(2-4-28)12-9-31-10-12/h5-8,12H,1-4,9-10H2,(H2,22,26)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412050 (US10392391, Compound I-G-21 | US10787452, Compound...) Show SMILES COC1CN(C1)C(=O)C1CCN(CC1)c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 Show InChI InChI=1S/C22H24F2N8O3/c1-35-14-10-31(11-14)22(34)12-2-4-30(5-3-12)18-15(24)7-26-8-16(18)28-21(33)17-19(25)29-32-9-13(23)6-27-20(17)32/h6-9,12,14H,2-5,10-11H2,1H3,(H2,25,29)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair